Thomas E. Karis, C. Mark Seymour, et al.
Rheologica Acta
The atomic-cell-orbital version of multiple-scattering theory for energy-band calculations is derived by matching surface integrals on the honeycomb lattice of atomic-cell interfaces. This contrasts with conventional derivations of full-potential multiple-scattering theory, based on integral equations in a Green-function formalism. These theories are shown to be equivalent when the conventional derivation of Williams and Morgan is reformulated in terms of surface integrals. The present derivation shows that energy-independent structure constants can be used, that the effects of geometrical structure and physical potential can be strictly separated, and that there are no near-field corrections. © 1990 The American Physical Society.
Thomas E. Karis, C. Mark Seymour, et al.
Rheologica Acta
John G. Long, Peter C. Searson, et al.
JES
T.N. Morgan
Semiconductor Science and Technology
J. Tersoff
Applied Surface Science